N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide

C20H31N3O3 — CID 86718225

IUPACN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCCC(C)C)cccn12
InChIInChI=1S/C20H31N3O3/c1-5-6-8-16(13-24)22-20(25)18-15(4)21-19-17(9-7-11-23(18)19)26-12-10-14(2)3/h7,9,11,14,16,24H,5-6,8,10,12-13H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyXKWRICLXCDQEPL-MRXNPFEDSA-N
MW361.49 g/mol
LogP3.35
Rot. Bonds10

About N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86718225) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86718225
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCCC(C)C)cccn12
InChIInChI=1S/C20H31N3O3/c1-5-6-8-16(13-24)22-20(25)18-15(4)21-19-17(9-7-11-23(18)19)26-12-10-14(2)3/h7,9,11,14,16,24H,5-6,8,10,12-13H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyXKWRICLXCDQEPL-MRXNPFEDSA-N
XLogP3.35
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 86718225) is N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCCC(C)C)cccn12.
What is the InChIKey of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XKWRICLXCDQEPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-6-8-16(13-24)22-20(25)18-15(4)21-19-17(9-7-11-23(18)19)26-12-10-14(2)3/h7,9,11,14,16,24H,5-6,8,10,12-13H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86718225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).